Basic blue 41

C₂₀H₂₆N₄O₆S₂CAS 12270-13-2482.57 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether Imine

Properties

Molecular formula: C₂₀H₂₆N₄O₆S₂
Molar mass: 482.57 g/mol
Exact mass: 482.1294 Da
logP: 1.19Crippen estimate
Polar surface area: 128.6 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed65.4% of notifiers
H314 Causes severe skin burns and eye damage52.4% of notifiers
H315 Causes skin irritation29.8% of notifiers
H318 Causes serious eye damage52.4% of notifiers
H319 Causes serious eye irritation42.3% of notifiers
H335 May cause respiratory irritation28.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure52.4% of notifiers
H400 Very toxic to aquatic life53.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects53.4% of notifiers

Aggregated from 208 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

12270-13-2

SMILES

CC[N+](CCO)=C1C=CC(=NN=c2sc3cc(OC)ccc3n2C)C=C1.COS(=O)(=O)[O-]

InChIKey

MHOFGBJTSNWTDT-UHFFFAOYSA-M

InChI

InChI=1S/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

48 names · show all

Benzothiazolium, 2-[2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, methyl sulfate (1:1)
C.I. Basic blue 41
Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate (salt)
Astrazon blue FGGL
Maxilon blue GRL
Deorlene fast blue RL
Synacril blue G
C.I. 11105
2-[[4-[Ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulfate
Basacryl blue X 3GL
Kayacryl blue GRL
Aizen cathilon blue GRLH
Anilan blue GRL
Crypur blue GRL
Melacril blue GRL
Diacryl blue GRL-N
Basacryl blue FD-X 3GL
Viocryl blue AGL
Viocryl blue AGL 300
Rifa cationic blue blue GRL 300
Rifa cationic blue blue GRL
Rifa cationic blue GRL
Basic blue X-GRRL
Conbasic blue DA
Cationic blue X-GRRL
Apollo cationic blue GRL
Concordacryl blue GRL
Blue X-GRL
Triacryl blue GRL
Raincryl blue GRL
Celasol blue GRL
Hebeicryl blue X-GRRL
Liquid catonic blue XL-GRL
Cationic blue X-GRL
Dycosacryl blue X-GRRL
Blue X-GRRL
Dyacryl blue GRL
Suraj cationic blue GRL
Dycosacryl blue X-GRL
Taiacryl blue RGN-T
Cationic blue O
Yogacryl brilliant blue GRL
Maxilon blue GRL pearl
Maxilon blue GRL granulated
Rifa cationic blue GRL 300
Cationic blue 41
BB 41
BB 41 (dye)

Work with Basic blue 41

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Proserine51-60-5Salt Basic yellow 2854060-92-3Salt Diphemanil methyl sulfate62-97-5Salt 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-2Salt Phenazine methosulfate299-11-6Salt Behentrimonium methosulfate81646-13-1Salt 1-Methoxyphenazine methosulfate65162-13-2Salt Amezinium metilsulfate30578-37-1Salt Sodium methyl sulfate512-42-5Salt Tiemonium methosulfate6504-57-0Salt Potassium monomethylsulfate562-54-9Salt Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)25910-85-4Salt

Elsewhere

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